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Create Selection API #14

Merged
merged 7 commits into from
Oct 28, 2024
Merged

Create Selection API #14

merged 7 commits into from
Oct 28, 2024

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zachcp
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@zachcp zachcp commented Oct 28, 2024

  • core/selection
  • looks like this:
  let ac = AtomCollection::from(&pdb);
  assert_eq!(ac.size(), 1413);

  let selected_atoms = ac
      .select()
      .chain("A")
      .residue("GLY")
      .element(Element::C)
      .collect();

assert_eq!(selected_atoms.size(), 22);

@zachcp zachcp mentioned this pull request Oct 28, 2024
@zachcp zachcp merged commit 60ff7a3 into main Oct 28, 2024
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@zachcp zachcp deleted the 20241028-views branch November 4, 2024 20:13
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